2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide

C19H14BrN5O2 — CID 55718262

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C19H14BrN5O2/c20-13-6-7-16-15(10-13)19(27)24(12-21-16)11-18(26)22-17-8-9-25(23-17)14-4-2-1-3-5-14/h1-10,12H,11H2,(H,22,23,26)
InChIKeyMPOZAKSJRZRSJA-UHFFFAOYSA-N
MW424.26 g/mol
LogP2.98
Rot. Bonds4

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide (PubChem CID 55718262) has the molecular formula C19H14BrN5O2 and a molecular weight of 424.26 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide
PubChem CID55718262
Molecular FormulaC19H14BrN5O2
Molecular Weight424.26 g/mol
Exact Mass423.03
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C19H14BrN5O2/c20-13-6-7-16-15(10-13)19(27)24(12-21-16)11-18(26)22-17-8-9-25(23-17)14-4-2-1-3-5-14/h1-10,12H,11H2,(H,22,23,26)
InChIKeyMPOZAKSJRZRSJA-UHFFFAOYSA-N
XLogP2.98
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 26675731
N-(2-benzylphenyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 30763561
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626
2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide
CID 55760929
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 55379284
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide
CID 7488154
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 55719002
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide (CID 55718262) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide is O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide?
The InChIKey is MPOZAKSJRZRSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5O2/c20-13-6-7-16-15(10-13)19(27)24(12-21-16)11-18(26)22-17-8-9-25(23-17)14-4-2-1-3-5-14/h1-10,12H,11H2,(H,22,23,26).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide has a molecular weight of 424.26 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 55718262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).